N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

C21H25N3O4 — CID 6736612

IUPACN-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESC=CCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-2-13-27-18-7-5-17(6-8-18)16-23-9-11-24(12-10-23)20(25)15-22-21(26)19-4-3-14-28-19/h2-8,14H,1,9-13,15-16H2,(H,22,26)
InChIKeyNXNZJTJIMJGUDW-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.92
Rot. Bonds8

About N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 6736612) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID6736612
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESC=CCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-2-13-27-18-7-5-17(6-8-18)16-23-9-11-24(12-10-23)20(25)15-22-21(26)19-4-3-14-28-19/h2-8,14H,1,9-13,15-16H2,(H,22,26)
InChIKeyNXNZJTJIMJGUDW-UHFFFAOYSA-N
XLogP1.92
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 46410154
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 2594758
N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 9069712
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 9243267
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate
CID 3806765
N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 43044219
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]methanone
CID 6736076

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide (CID 6736612) is N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide is C=CCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is NXNZJTJIMJGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-13-27-18-7-5-17(6-8-18)16-23-9-11-24(12-10-23)20(25)15-22-21(26)19-4-3-14-28-19/h2-8,14H,1,9-13,15-16H2,(H,22,26).
What are the key properties of N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6736612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).